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Visualization in the integrated SimPhoNy multiscale simulation framework

: Adler, J.; Kulju, S.; Hyväluoma, J.; Mattila, K.; Choi, K.; Tziakos, I.; Pinte, D.; García, G.A; Makushok, Y.; Makushok, V.; Lama, J.; Román-Pérez, G.; Hashibon, A.; Sadeghi, M.; Franklin, N; Silverman, A.


Computer physics communications 231 (2018), S.45-61
ISSN: 0010-4655
European Commission EC
FP7-NMP; 604005; SimPhoNy
Ministerio de Industria, Energía y Comercio from Gobierno de España
Fraunhofer IWM ()
atomistic; electronic charge density; macroscopic scale; materials modelling; multi-scale; multi-scale simulation; parallel computer; simulation approach

We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented.